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Androst-7-en-3-ol, 4-methylbenzenesulfonate, (3.beta.,5.alpha.)-
SpectraBase Compound ID JOCY1T1yV7i
InChI InChI=1S/C26H36O3S/c1-18-6-9-21(10-7-18)30(27,28)29-20-12-16-26(3)19(17-20)8-11-22-23-5-4-14-25(23,2)15-13-24(22)26/h6-7,9-11,19-20,23-24H,4-5,8,12-17H2,1-3H3/t19-,20-,23-,24-,25-,26-/m0/s1
InChIKey RYLJLMRVOWAJPM-CGZLHFDMSA-N
Mol Weight 428.6 g/mol
Molecular Formula C26H36O3S
Exact Mass 428.238516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fc32J6MH6nj
Name Androst-7-en-3-ol, 4-methylbenzenesulfonate, (3.beta.,5.alpha.)-
Alternate Name(s) (3beta,5alpha)-androst-7-en-3-yl 4-methylbenzenesulfonate 5.alpha.-androst-7-en-3.beta.-yl tosylalate
CAS Registry Number 63518-73-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O3S
InChI InChI=1S/C26H36O3S/c1-18-6-9-21(10-7-18)30(27,28)29-20-12-16-26(3)19(17-20)8-11-22-23-5-4-14-25(23,2)15-13-24(22)26/h6-7,9-11,19-20,23-24H,4-5,8,12-17H2,1-3H3/t19-,20-,23-,24-,25-,26-/m0/s1
InChIKey RYLJLMRVOWAJPM-CGZLHFDMSA-N
Molecular Weight 428.631 g/mol
SMILES [C@]1(OS(c2ccc(cc2)C)(=O)=O)(C[C@@]2(CC=C3[C@@]([C@]2(CC1)C)(CC[C@@]1(CCC[C@@]31[H])C)[H])[H])[H]
SPLASH splash10-0006-8950000000-d04a059e40544f913a15
Source of Spectrum B-35-2125-0
Wiley ID 1380795